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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00368830

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPRPROPYLBENZENEC1RHK0.73
I4BISOBUTYLBENZENEA184L0.7
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.75
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.76
PHGPHENYLMERCURYA1CZS0.9
MBNTOLUENEA,B3D7O0.75
MBNTOLUENEA,B1R1X0.75
MBNTOLUENEA,B1JLX0.75
MBNTOLUENEA,B,C,D3D170.75
MBNTOLUENEA,B2VRL0.75
MBNTOLUENEA,I2Z3E0.75
MBNTOLUENEA,B1YZI0.75
MBNTOLUENEA,B2DN10.75
MBNTOLUENEA,B3EN10.75
BNZBENZENEA1L830.9
BNZBENZENEA1CP40.9
BNZBENZENEA,B,C,D1XXJ0.9
BNZBENZENEB1SWI0.9
BNZBENZENEA181L0.9
BNZBENZENEA223L0.9
BNZBENZENEA3DMX0.9
BNZBENZENEA2Z9G0.9
BNZBENZENEA220L0.9
BNZBENZENEA227L0.9
BNZBENZENEA,B1A7Z0.9
BNZBENZENEA1L840.9
OXEORTHO-XYLENEA,B3E0X0.7
OXEORTHO-XYLENEA188L0.7
PXYPARA-XYLENEA187L0.73
PXYPARA-XYLENEA225L0.73
PBCPHENYL BORONIC ACIDA2A320.92
PBCPHENYL BORONIC ACIDA1JU30.92
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.82
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
BT6benzenethiolA,B,C,D3HSR0.78
BNSHYDROSULFONYLBENZENE11YYY0.78
BNSHYDROSULFONYLBENZENEA1MEM0.78
BNSHYDROSULFONYLBENZENEA,D,E1FH00.78
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.78
F5B1,2,3,4,5-pentafluorobenzeneA3DN00.75
N4BN-BUTYLBENZENEA186L0.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.73
TTATETRAPHENYL-ARSONIUMA1HYV0.7
PA0Phenylarsine oxideA3E3Z0.92
YAN1,2-DICHLOROBENZENEX2OTY0.7
118TETRAPHENYLANTIMONIUM IONA1EXI0.7
PIHIODOPHENYLA1UO50.96
PIHIODOPHENYLA3DNA0.96
PIHIODOPHENYLA1F9O0.96
PIHIODOPHENYLA,B1UO40.96
PIHIODOPHENYLA3DN40.96